pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	IUPAC digitized pKa	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
9.49	IUPAC digitized pKa	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
9.18	IUPAC digitized pKa	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
8.89	IUPAC digitized pKa	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
9.56	IUPAC digitized pKa	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
9.41	Datawarrior	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
9.4099998	OCHEM	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
9.18000030517578	QSARToolbox	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
9.48999977111816	QSARToolbox	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN
9.26	AttenGpKa training set	1	0	CSCC[NH3+]	CSCCN	mol855	CSCCN